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Open access

Research article

First published 2022-2

MultiPharm-DT: A Multi-Objective Decision Tool for Ligand-Based Virtual Screening Problems

S. Puertas-Martín, J.L. Redondo, M.R. Ferrández [...]

Informatica: An International Journal of Computing and Informatics

Free access

Research article

First published 2011-10

Implementing Relevance Feedback in Ligand-Based Virtual Screening Using Bayesian Inference Network

Ammar Abdo, Naomie Salim, Ali Ahmed

Journal of Biomolecular Screening

Free access

Research article

First published 2008-12

Atom- and Bond-Based 2D TOMOCOMD-CARDD Approach and Ligand-Based Virtual Screening for the Drug Discovery of New Tyrosinase Inhibitors

Gerardo M. Casañola-Martín, Yovani Marrero-Ponce, Mahmud Tareq Hassan Khan [...]

Journal of Biomolecular Screening

Retricted access

Research article

First published 2025-11

Combining Ligand- and Structure-Based Methods for More Effective Virtual Screening

Tamsin Mansley

Genetic Engineering & Biotechnology News

Open access

Research article

First published 2025-10

Exploring the Therapeutic Potential of Virtual Screened Novel HER2 Inhibitors via QSAR,Molecular Docking and Dynamics Simulations

Khurram Rehman, Zoya Iqbal, Zhiqin Deng [...]

Dose-Response

Open access

Research article

First published 2022-3

Discovery of an SphK1 inhibitor: A hybrid approach involving a receptor–ligand-complex-based pharmacophore and docking-based virtual screening

Tiandi Ding, HaiJiao Chen, Yan Li [...]

Journal of Chemical Research

Free access

Research article

First published 2005-10

Virtual Ligand Screening against Escherichia coli Dihydrofolate Reductase: Improving Docking Enrichment Using Physics-Based Methods

Katarzyna Bernacki, Chakrapani Kalyanaraman, Matthew P. Jacobson

Journal of Biomolecular Screening

Retricted access

Research article

First published 2011-06

Efficient In Silico Assay of Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase by Structure-Based Virtual Screening and In Vitro Evaluation

Ying-Ting Lin, Kuo-Jung Huang, Chin-Kai Tseng [...]

ASSAY and Drug Development Technologies

Open access

Review article

First published 2025-1

Virtual screening combined with molecular docking for the !identification of new anti-adipogenic compounds

Gilberto Mandujano-Lázaro, María F Torres-Rojas, Esther Ramírez-Moreno [...]

Science Progress

Free access

Research article

First published 2011-3

On the Integration of Pharmacophore Model and Molecular Docking Method

G. Dong, X.J. Deng, J.H. Xiao

Journal of Algorithms & Computational Technology

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